1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea

C10H16N4S — CID 174777276

IUPAC1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea
SMILESCCc1cccc(CN)c1NC(=S)NN
InChIInChI=1S/C10H16N4S/c1-2-7-4-3-5-8(6-11)9(7)13-10(15)14-12/h3-5H,2,6,11-12H2,1H3,(H2,13,14,15)
InChIKeyMHWRETRLLLRVOD-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.87
Rot. Bonds3

About 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea

1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea (PubChem CID 174777276) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea
PubChem CID174777276
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea
SMILESCCc1cccc(CN)c1NC(=S)NN
InChIInChI=1S/C10H16N4S/c1-2-7-4-3-5-8(6-11)9(7)13-10(15)14-12/h3-5H,2,6,11-12H2,1H3,(H2,13,14,15)
InChIKeyMHWRETRLLLRVOD-UHFFFAOYSA-N
XLogP0.87
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
2-(2,6-diethylanilino)acetohydrazide
CID 13014243
N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 110191073
1-(2,6-diethylphenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17263012
4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide
CID 3004250
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187822
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
4-[2-[(2,6-diethylphenyl)carbamothioyl]hydrazinyl]benzoic acid
CID 8619344
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 82182301
N-(2,6-diethylphenyl)-3-oxoheptanamide
CID 71337961
N-(2,6-diethylphenyl)azetidine-1-carbothioamide
CID 97184843
1-(2-benzylsulfanylethyl)-3-(2,6-diethylphenyl)thiourea
CID 3582035

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea?
The IUPAC name of 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea (CID 174777276) is 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea is CCc1cccc(CN)c1NC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea?
The InChIKey is MHWRETRLLLRVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-7-4-3-5-8(6-11)9(7)13-10(15)14-12/h3-5H,2,6,11-12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea?
1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea has a molecular weight of 224.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(aminomethyl)-6-ethylphenyl]thiourea is sourced from PubChem (CID 174777276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).